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1YB5
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BU of 1yb5 by Molmil
Crystal structure of human Zeta-Crystallin with bound NADP
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Debreczeni, J, Berridge, G, Kavanagh, K, Colbrook, S, Bray, J, Williams, L, Oppermann, U, Sundstrom, M, Arrowsmith, C, Edwards, A, Gileadi, O, von Delft, F, Structural Genomics Consortium (SGC)
登録日2004-12-20
公開日2004-12-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of human Zeta-Crystallin at 1.85A
To be Published
2C46
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CRYSTAL STRUCTURE OF THE HUMAN RNA guanylyltransferase and 5'- phosphatase
分子名称: MRNA CAPPING ENZYME
著者Debreczeni, J, Johansson, C, Longman, E, Gileadi, O, SavitskySmee, P, Smee, C, Bunkoczi, G, Ugochukwu, E, von Delft, F, Sundstrom, M, Weigelt, J, Arrowsmith, C, Edwards, A, Knapp, S.
登録日2005-10-15
公開日2005-11-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Human RNA Guanylyltransferase and 5'-Phosphatase
To be Published
5O4A
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BU of 5o4a by Molmil
Human FGF in complex with a covalent inhibitor
分子名称: Fibroblast growth factor receptor 1, GLYCEROL, SULFATE ION, ...
著者Debreczeni, J, Breed, J, Mukherjee, H, Aquila, B, Kaiser, C, Tentarelli, S, Whitty, A, Grimster, N.
登録日2017-05-26
公開日2018-02-07
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献A study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions.
Org. Biomol. Chem., 15, 2017
5O49
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Human FGF in complex with a covalent inhibitor
分子名称: Fibroblast growth factor receptor 1, SULFATE ION, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate
著者Debreczeni, J, Breed, J, Mukherjee, H, Aquila, B, Kaiser, C, Tentarelli, S, Whitty, A, Grimster, N.
登録日2017-05-26
公開日2018-02-07
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献A study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions.
Org. Biomol. Chem., 15, 2017
4CDF
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Human DPP1 in complex with (2S,4S)-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)-4-hydroxy-piperidine-2-carboxamide
分子名称: (2S,4S)-N-[(2S)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-piperidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L.
登録日2013-10-31
公開日2014-03-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
4CDC
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BU of 4cdc by Molmil
Human DPP1 in complex with (2S)-2-amino-N-((1S)-1-cyano-2-(4- phenylphenyl)ethyl)butanamide
分子名称: (2S)-2-azanyl-N-[(2S)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L.
登録日2013-10-31
公開日2014-03-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
4CDD
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Human DPP1 in complex with (2S)-N-((1S)-1-cyano-2-(4-(4-cyanophenyl) phenyl)ethyl)piperidine-2-carboxamide
分子名称: (2S)-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]PIPERIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L.
登録日2013-10-31
公開日2014-03-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
4CDE
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Human DPP1 in complex with 4-amino-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)tetrahydropyran-4-carboxamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE, CHLORIDE ION, ...
著者Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L.
登録日2013-10-31
公開日2014-03-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
4GV1
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BU of 4gv1 by Molmil
PKB alpha in complex with AZD5363
分子名称: 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, GLYCEROL, RAC-alpha serine/threonine-protein kinase
著者Addie, M, Ballard, P, Bird, G, Buttar, D, Currie, G, Davies, B, Debreczeni, J, Dry, H, Dudley, P, Greenwood, R, Hatter, G, Jestel, A, Johnson, P.D, Kettle, J.G, Lane, C, Lamont, G, Leach, A, Luke, R.W.A, Ogilvie, D, Page, K, Pass, M, Steinbacher, S, Steuber, H, Pearson, S, Ruston, L.
登録日2012-08-30
公開日2013-02-27
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases.
J.Med.Chem., 56, 2013
2UZP
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BU of 2uzp by Molmil
Crystal structure of the C2 domain of human protein kinase C gamma.
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, COBALT (II) ION, ...
著者Pike, A.C.W, Amos, A, Johansson, C, Sobott, F, Savitsky, P, Berridge, G, Fedorov, O, Umeano, C, Gorrec, F, Bunkoczi, G, Debreczeni, J, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S.
登録日2007-04-30
公開日2007-05-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of C2 Domain of Protein Kinase C Gamma
To be Published
5FRI
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BU of 5fri by Molmil
ALK5 in complex witha an N-(4-anilino-2-pyridyl)acetamide inhibitor.
分子名称: 1,2-ETHANEDIOL, N-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide, TGF-BETA RECEPTOR TYPE-1
著者Goldberg, F.W, Daunt, P, Pearson, S.E, Greenwood, R, Debreczeni, J, Grist, M.
登録日2015-12-17
公開日2016-07-27
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and optimisation of a series of N-(4-anilino-2-pyridyl)acetamide activin receptor-like kinase 1 (ALK1) inhibitors
Med. Chem. Commun., 7, 2016
1XWS
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BU of 1xws by Molmil
Crystal Structure of the human PIM1 kinase domain
分子名称: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, Proto-oncogene serine/threonine-protein kinase Pim-1, SULFATE ION
著者Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K.
登録日2004-11-02
公開日2004-11-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human PIM1 kinase domain
To be Published
4ZH0
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BU of 4zh0 by Molmil
Structure of Helicobacter pylori adhesin BabA determined by SeMet SAD
分子名称: Outer membrane protein-adhesin
著者Howard, T.D, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H.
登録日2015-04-24
公開日2015-08-19
最終更新日2015-12-09
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA.
Sci Adv, 1, 2015
4ZH7
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BU of 4zh7 by Molmil
Structural basis of Lewisb antigen binding by the Helicobacter pylori adhesin BabA
分子名称: Outer membrane protein-adhesin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose
著者Howard, T, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H.
登録日2015-04-24
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA.
Sci Adv, 1, 2015
2O23
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BU of 2o23 by Molmil
The structure of wild-type human HADH2 (17beta-hydroxysteroid dehydrogenase type 10) bound to NAD+ at 1.2 A
分子名称: GLYCEROL, HADH2 protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Kavanagh, K.L, Shafqat, N, Scholer, K, Debreczeni, J, Zschocke, J, von Delft, F, Weigelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2006-11-29
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The structure of wild-type human HADH2 (17beta-hydroxysteroid dehydrogenase type 10) bound to NAD+ at 1.2 A
To be Published
2OBY
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Crystal structure of Human P53 inducible oxidoreductase (TP53I3,PIG3)
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative quinone oxidoreductase
著者Porte, S, Valencia, E, Farres, J, Fita, I, Pike, A.C.W, Shafqat, N, Debreczeni, J, Johansson, C, Haroniti, A, Gileadi, O, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, von Delft, F, Oppermann, U, Pares, X.
登録日2006-12-20
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of human P53 inducible oxidoreductase (TP53I3, PIG3)
To be Published
2OVJ
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The crystal structure of the human Rac GTPase activating protein 1 (RACGAP1) MgcRacGAP.
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Rac GTPase-activating protein 1
著者Shrestha, L, Papagrigoriou, E, Soundararajan, M, Elkins, J, Johansson, C, von Delft, F, Pike, A.C.W, Burgess, N, Turnbull, A, Debreczeni, J, Gorrec, F, Umeano, C, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2007-02-14
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献The crystal structure of the human Rac GTPase activating protein 1 (RACGAP1) MgcRacGAP.
To be Published
2NPT
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Crystal Structure of the complex of human mitogen activated protein kinase kinase 5 phox domain (MAP2K5-phox) with human mitogen activated protein kinase kinase kinase 2 phox domain (MAP3K2-phox)
分子名称: Dual specificity mitogen-activated protein kinase kinase 5, Mitogen-activated protein kinase kinase kinase 2
著者Filippakopoulos, P, Debreczeni, J, Papagrigoriou, V, Turnbull, A, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2006-10-30
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of the complex of human mitogen activated protein kinase kinase 5 phox domain (MAP2K5-phox) with human mitogen activated protein kinase kinase kinase 2 phox domain (MAP3K2-phox)
To be Published
2C47
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Structure of casein kinase 1 gamma 2
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, CASEIN KINASE 1 GAMMA 2 ISOFORM, MAGNESIUM ION
著者Bunkoczi, G, Rellos, P, Das, S, Ugochukwu, E, Fedorov, O, Sobott, F, Eswaran, J, Amos, A, Ball, L, von Delft, F, Bullock, A, Debreczeni, J, Turnbull, A, Sundstrom, M, Weigelt, J, Arrowsmith, C, Edwards, A, Knapp, S.
登録日2005-10-16
公開日2005-11-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Structure of Casein Kinase 1 Gamma 2
To be Published
2FE5
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The Crystal Structure of the Second PDZ Domain of Human DLG3
分子名称: GLYCEROL, Presynaptic protein SAP102, SULFATE ION
著者Ugochukwu, E, Phillips, C, Schoch, G, Berridge, G, Salah, E, Colebrook, S, Smee, C, Savitsky, P, Bray, J, Elkins, J, Doyle, D, Bunkoczi, G, Debreczeni, J, Turnbull, A, Gorrec, F, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Structural Genomics Consortium (SGC)
登録日2005-12-15
公開日2005-12-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The Crystal Structure of the Second PDZ Domain of Human DLG3
To be Published
2F5Y
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Crystal Structure of the PDZ Domain from Human RGS-3
分子名称: SULFATE ION, regulator of G-protein signalling 3 isoform 1
著者Ugochukwu, E, Berridge, G, Johansson, C, Smee, C, Savitsky, P, Burgess, N, Colebrook, S, Yang, X, Elkins, J, Doyle, D, Turnbull, A, Papagrigoriou, E, Debreczeni, J, Bunkoczi, G, Gorrec, F, von Delft, F, Arrowsmith, C, Sundstrom, M, Weigelt, J, Edwards, A, Structural Genomics Consortium (SGC)
登録日2005-11-28
公開日2005-12-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Crystal Structure of the PDZ Domain from Human RGS-3
To be Published
2GJS
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The crystal structure of human RRAD in complex with GDP
分子名称: GTP-binding protein RAD, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Turnbull, A.P, Yang, X, Soundararajan, M, Schoch, G, Debreczeni, J, Elkins, J.M, Gileadi, C, Berridge, G, Pantic, N, Burgess, N, Smee, C.E.A, Bray, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
登録日2006-03-31
公開日2006-04-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of human RRAD in complex with GDP
To be Published
2AR7
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Crystal structure of human adenylate kinase 4, AK4
分子名称: Adenylate kinase 4
著者Filippakopoulos, P, Turnbull, A.P, Fedorov, O, Weigelt, J, Bunkoczi, G, Ugochukwu, E, Debreczeni, J, Niesen, F, von Delft, F, Edwards, A, Arrowsmith, C, Sundstrom, M, Structural Genomics Consortium (SGC)
登録日2005-08-19
公開日2005-12-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of human adenylate kinase 4, AK4
To be Published
2BBW
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Crystal structure of human adenylate kinase 4 (AK4) in complex with diguanosine pentaphosphate
分子名称: DIGUANOSINE-PENTAPHOSPHATE, adenylate kinase 4, AK4
著者Filippakopoulos, P, Turnbull, A.P, Fedorov, O, Weigelt, J, Bunkoczi, G, Ugochukwu, E, Debreczeni, J, Niesen, F, von Delft, F, Edwards, A, Arrowsmith, C, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2005-10-17
公開日2005-12-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of human adenylate kinase 4 (AK4) in complex with diguanosine pentaphosphate
To be Published
2FN4
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The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein R-Ras
著者Turnbull, A.P, Elkins, J.M, Gileadi, C, Burgess, N, Salah, E, Papagrigoriou, E, Debreczeni, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
登録日2006-01-10
公開日2006-01-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state
To be Published

 

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